Information card for entry 2019824

Structure parameters

• Chemical name: 2-Amino-5-nitropyridinium sulfamate
• Formula: C5 H8 N4 O5 S
• Calculated formula: C5 H8 N4 O5 S
• Title of publication: Crystal structure of 2-amino-5-nitropyridinium sulfamate
• Authors of publication: Rajkumar, M. Ambrose; NizamMohideen, M.; Xavier, S. Stanly John; Anbarasu, S.; Devarajan, Dr. Prem Anand
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• Pages of publication: 231
• a: 28.0866 ± 0.001 Å
• b: 9.0052 ± 0.0003 Å
• c: 7.4023 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1872.23 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.284
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes